CID 136533

Hexafluorocyclobutanone

Structural Information

Molecular Formula

SMILES

C1(=O)C(C(C1(F)F)(F)F)(F)F

InChI

InChI=1S/C4F6O/c5-2(6)1(11)3(7,8)4(2,9)10

InChIKey

OKMQQXIEPRGARV-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4-hexafluorocyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 96
Patents: 177.98534 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.992616	123.4
[M+Na]+	200.974558	135.8
[M-H]-	176.978064	121.9
[M+NH4]+	196.019163	143.3
[M+K]+	216.948498	136.3
[M+H-H2O]+	160.982600	114.0
[M+HCOO]-	222.983541	140.3
[M+CH3COO]-	236.999191	183.5
[M+Na-2H]-	198.960006	129.3
[M]+	177.98479142	125.3
[M]-	177.98588858	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe